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• W2912809780 abstract "We employ the well-tempered parallel-bias metadynamics algorithm to study the stability of nanoparticles in a lattice gas for crystallization from solution. The model allows us to give a description for the transition from amorphous to crystalline nanoparticles by introducing parameters directly related to the surface tensions of the two phases and also the differences of the entropy per particle in each phase. By examining the parameter space, we find a critical cluster size of crystalline stability, whose temperature and size dependencies follow the Gibbs-Thomson equation. An additional melting point depression due to cluster surface fluctuations is observed, leading to a non-classical nucleation barrier of cluster growth." @default.
• W2912809780 created "2019-02-21" @default.
• W2912809780 creator A5015381502 @default.
• W2912809780 creator A5078196342 @default.
• W2912809780 date "2019-02-07" @default.
• W2912809780 modified "2023-09-27" @default.
• W2912809780 title "Stability of nanoparticles in solution: A statistical description of crystallization as a finite particle size effect in a lattice-gas model" @default.
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• W2912809780 doi "https://doi.org/10.1063/1.5063665" @default.
• W2912809780 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30736690" @default.
• W2912809780 hasPublicationYear "2019" @default.
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